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Data-augmenting self-attention network for predicting photocatalytic degradation efficiency: a study on TiO2/curcumin nanocomposites 用于预测光催化降解效率的数据增强自注意力网络:对二氧化钛/姜黄素纳米复合材料的研究
IF 1.7 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2024-08-10 DOI: 10.1007/s11144-024-02695-x
Lahcene Aid, Mohamed Salaheddine Abbou, Ahmed Riadh Gafour, Asmaa Bouazza, Abdelakder Dehbi, S. Bassaid, Ali Alsalme, Massimo Messori
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引用次数: 0
Construction of N-doped 2D TiO2/MoS2 S-scheme heterojunction for enhanced photodegradation activity by rhodamine B 构建掺杂 N 的二维 TiO2/MoS2 S 型异质结以增强罗丹明 B 的光降解活性
IF 1.7 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2024-08-10 DOI: 10.1007/s11144-024-02702-1
Bayrammyrat Ovezmyradov, Huiyuan Chen, Shouzhen Duan, Meitong Zhu, Duo Zhang, Caihong Xue, Movlamberdi Ovezmyradov, Guijun Yang
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引用次数: 0
Multifunctional nanoparticles as effective adsorbents for fluoride removal from synthetic and drinking waters: equilibrium, kinetics, and thermodynamics 多功能纳米颗粒作为有效吸附剂去除合成水和饮用水中的氟化物:平衡学、动力学和热力学
IF 1.7 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2024-08-09 DOI: 10.1007/s11144-024-02681-3
N. Kamoun, S. Raissi, M. Younes, Hamza Elfil
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引用次数: 0
Atmospheric water sorption kinetics of a biomass-derived sorbent: a preliminary study 生物质吸附剂的大气吸水动力学:初步研究
IF 1.7 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2024-08-09 DOI: 10.1007/s11144-024-02694-y
G. Raveesh, R. Goyal, S. K. Tyagi
{"title":"Atmospheric water sorption kinetics of a biomass-derived sorbent: a preliminary study","authors":"G. Raveesh, R. Goyal, S. K. Tyagi","doi":"10.1007/s11144-024-02694-y","DOIUrl":"https://doi.org/10.1007/s11144-024-02694-y","url":null,"abstract":"","PeriodicalId":750,"journal":{"name":"Reaction Kinetics, Mechanisms and Catalysis","volume":null,"pages":null},"PeriodicalIF":1.7,"publicationDate":"2024-08-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141922088","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synthesis and characterization of biowaste-derived porous carbon supported palladium: a systematic study as a heterogeneous catalyst for the reduction of nitroarenes 生物废弃物衍生多孔碳支撑钯的合成与表征:作为硝基烯烃还原异相催化剂的系统研究
IF 1.7 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2024-08-09 DOI: 10.1007/s11144-024-02690-2
Apoorva Shetty, G. Hegde
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引用次数: 0
Castor biogasoline via catalytic cracking over activated Ni–Zn/activated natural zeolite catalyst 活化镍锌/活化天然沸石催化剂催化裂解蓖麻生物汽油
IF 1.8 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2024-08-09 DOI: 10.1007/s11144-024-02701-2
Aman Santoso, Amalia Bella Saputri, Evilia Wahyuning, Sumari Sumari, Eli Hendrik Sanjaya, Muntholib Muntholib

Synthesizing biogasoline from castor oil was catalyzed by Activated Natural Zeolite (ANZ) catalyst modified Ni and Zn metals in batch-cracking reactor. The process was affected by the modified catalyst on variation of Ni:Zn ratio (1:1, 1:2, and 2:1) at the calcination temperature of 500 °C, and variation of the calcination temperature (500, 600, and 700 °C) At Ni–Zn (1:1). After characterizations and analysis, the higher the calcination temperature, the lower the acidity of the catalyst caused the resulting yield also decreases. The density of the product obtained ranged from 0.765–0.83 g/mL, the viscosity ranged from 1.42–1.95, the refractive index was 1.421–1.431, and the calorific value tested on the cracking product with Ni:Zn (1:1) (500 °C) Fraction I, Fraction II, and Fraction III were 0.9966 kcal/kg, 0.9068 kcal/kg, and 0.8755 kcal/kg, respectively. The results of FTIR and GC–MS showed that the composition of the catalytic cracking product was composed of C6–C14 hydrocarbons consisting of aldehydes, alkanes, alkenes, and carboxylic acids. The composition was dominated by biogasoline compounds (C5–C12).

活性天然沸石(ANZ)催化剂改性镍和锌金属在间歇式裂解反应器中催化蓖麻油合成生物汽油。在煅烧温度为 500 °C、镍锌(1:1、1:2 和 2:1)和煅烧温度为 500、600 和 700 °C、镍锌(1:1)的条件下,改性催化剂对镍锌比的变化对工艺产生了影响。经过表征和分析,煅烧温度越高,催化剂的酸度越低,所产生的产率也越低。镍锌(1:1)(500 °C)馏分 I、馏分 II 和馏分 III 裂解产物的热值分别为 0.9966 千卡/千克、0.9068 千卡/千克和 0.8755 千卡/千克。傅立叶变换红外光谱(FTIR)和气相色谱-质谱(GC-MS)的结果表明,催化裂化产物的成分由 C6-C14 碳氢化合物组成,包括醛、烷、烯和羧酸。其中主要是生物汽油化合物(C5-C12)。
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引用次数: 0
Exploring the potential of metal-catalysis with N, N-type ligands in [3+2] cycloaddition reactions of azides and alkynes using theoretical tools 利用理论工具探索叠氮化物和炔烃的 [3+2] 环加成反应中 N、N 型配体的金属催化潜力
IF 1.7 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2024-08-08 DOI: 10.1007/s11144-024-02696-w
AA Khairbek, Maha I. Al-Zaben, Faheem Abbas, M. Badawi, Renjith Thomas
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引用次数: 0
Fabrication and evaluation of ZnO–Ag nanocomposites exhibiting enhanced antibacterial properties and their potential applications 具有增强抗菌性能的氧化锌-银纳米复合材料的制备和评估及其潜在应用
IF 1.8 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2024-08-01 DOI: 10.1007/s11144-024-02699-7
Alisha Verma, Nitesh Kumar, Rinki Agarwal, Sonal Chauhan, V. K. Jain, Sucheta Sengupta

In response to the pressing challenges in various fields, particularly healthcare and infection prevention, this research explores the synthesis, characterization, and assessment of ZnO–Ag nanocomposites for antibacterial properties. Employing a solvothermal method, silver nanoparticles were incorporated into hydrothermally synthesized zinc oxide nanorods, aiming to harness their synergistic antibacterial effects. The research systematically analyses the nanocomposites, unveiling their structural and compositional features. Antibacterial potential is evaluated through agar well diffusion assay, demonstrating increased efficacy against diverse bacteria. With implications extending to biomedical applications, these nanocomposites emerge as promising contenders for infection prevention in healthcare settings.

为了应对各个领域,尤其是医疗保健和感染预防领域面临的紧迫挑战,本研究探讨了氧化锌-银纳米复合材料的合成、表征和抗菌性能评估。研究采用溶热法将银纳米粒子与水热法合成的氧化锌纳米棒结合在一起,旨在利用它们的协同抗菌效果。研究对纳米复合材料进行了系统分析,揭示了其结构和组成特征。通过琼脂井扩散试验对抗菌潜力进行了评估,结果表明纳米复合材料对多种细菌具有更强的功效。这些纳米复合材料对生物医学应用具有深远影响,有望成为医疗机构预防感染的有力竞争者。
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引用次数: 0
Optimization of concentrations of natural antioxidants (curcumin) to enhance the thermal stability of ultra high molecular weight polyethylene (UHMWPE) 优化天然抗氧化剂(姜黄素)的浓度,提高超高分子量聚乙烯(UHMWPE)的热稳定性
IF 1.8 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2024-07-31 DOI: 10.1007/s11144-024-02697-9
Nidhi Khattar, Jagriti, Shagun Kainth, Piyush Sharma, Vishal Ahlawat, Urmila Berar, Pawan K. Diwan

The impact of different concentrations of natural antioxidants (curcumin) on the thermal stability of UHMWPE (ultra-high molecular weight polyethylene) is examined via the thermogravimetric (TGA/DTA) technique, in the temperature region 50–600 °C at a 5 °C/min heating rate. This work employs the model fitting (Coats and Redfern) approach to determine the optimal curcumin concentration. UHMWPE samples at optimum concentration are further subjected to three other heating rates, viz., 10, 15 and 20 °C. A bi-Gaussian asymmetric function is utilized for deconvolution to elucidate the complexities of thermal decomposition. Through deconvolution, two peaks are obtained and the activation energy corresponding to each peak is determined through two iso-conversional kinetic (Friedman and Starink) models. By utilizing activation energy, the random nucleation reaction mechanism involved in thermal decomposition is recognized. Finally, changes in entropy (left(Delta Sright)), enthalpy (left(Delta Hright)) and Gibbs free energy (left(Delta Gright)) are determined.

通过热重(TGA/DTA)技术,在 50-600 °C 的温度范围内,以 5 °C/min 的加热速率,研究了不同浓度的天然抗氧化剂(姜黄素)对超高分子量聚乙烯(UHMWPE)热稳定性的影响。这项工作采用模型拟合(Coats 和 Redfern)方法来确定姜黄素的最佳浓度。采用最佳浓度的超高分子量聚乙烯样品还需接受其他三种加热速率,即 10、15 和 20 °C。利用双高斯不对称函数进行解卷积,以阐明热分解的复杂性。通过解卷积得到两个峰值,并通过两个等转换动力学(Friedman 和 Starink)模型确定每个峰值对应的活化能。利用活化能,可以识别热分解中的随机成核反应机制。最后,熵(left(Delta Sright))、焓(left(Delta Hright))和吉布斯自由能(left(Delta Gright))的变化被确定下来。
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引用次数: 0
Model-free kinetic analysis of multi-step thermal decomposition of ammonium perchlorate coated with reduced graphene oxide 包覆还原氧化石墨烯的高氯酸铵多步热分解的无模型动力学分析
IF 1.8 4区 化学 Q4 CHEMISTRY, PHYSICAL Pub Date : 2024-07-30 DOI: 10.1007/s11144-024-02683-1
Hamdane Akbi, Souleymen Rafai, Ahmed Mekki, Slimane Bekhouche, Sabri Touidjine, Elamine Louafi, Ahmed Saim, Mohamed Abderrahim Hamouche

This study investigates the effect of coating AP with RGO on its thermal decomposition kinetics and behavior. Differential scanning calorimetry (DSC) was performed for pure AP and AP@RGO at several heating rates. DSC curves of AP@RGO for various heating rates were split into individual reactions using a mathematical deconvolution approach. The assessment of kinetic triplets of various reactions was accomplished for both AP and AP@RGO using an effective model-free approach (MFA). Deconvolution of the DSC curve for AP@RGO reveals three distinct decomposition processes, compared to only two observed in pure AP. Notably, the low-temperature decomposition reaction appears to be catalyzed by RGO, leading to a dramatic decrease in activation energy from 164 to 116 kJ/g. Conversely, the high-temperature decomposition remains uncatalyzed, with a slight increase in activation energy from 177 to 188 kJ/g. The catalytic effectiveness of RGO in the thermal decomposition process of AP fluctuates due to structural transformations within RGO and its degradation in the presence of perchloric acid.

本研究探讨了在 AP 上涂覆 RGO 对其热分解动力学和行为的影响。在几种加热速率下,对纯 AP 和 AP@RGO 进行了差示扫描量热法(DSC)测定。采用数学解卷积法将 AP@RGO 在不同加热速率下的 DSC 曲线拆分为单个反应。采用有效的无模型方法 (MFA),对 AP 和 AP@RGO 的各种反应的动力学三元组进行了评估。AP@RGO 的 DSC 曲线解卷积显示了三个不同的分解过程,而纯 AP 只有两个分解过程。值得注意的是,低温分解反应似乎是由 RGO 催化的,导致活化能从 164 kJ/g 急剧下降到 116 kJ/g。相反,高温分解反应仍未被催化,活化能从 177 kJ/g 微升至 188 kJ/g。在 AP 的热分解过程中,RGO 的催化效力会因 RGO 内部的结构转变及其在高氯酸存在下的降解而波动。
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引用次数: 0
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Reaction Kinetics, Mechanisms and Catalysis
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